@article{kachadourian_srinivasan_haney_stevens_2001, title={An LDI-TOF and ESI mass spectrometry study of a series of beta-substituted cationic metalloporphyrins}, volume={5}, ISSN={["1088-4246"]}, DOI={10.1002/jpp.354}, abstractNote={A series of β-halogenated cationic metalloporphyrins were analyzed by LDI-TOF and ESI-MS. Although LDI-TOFMS reveals to be a good tool for the characterization of this family of metal-complexes, including the redox state of the metal, ESI-MS indicates in addition the relative tendency of such metal-complexes to be reduced.}, number={6}, journal={JOURNAL OF PORPHYRINS AND PHTHALOCYANINES}, author={Kachadourian, R and Srinivasan, N and Haney, CA and Stevens, RD}, year={2001}, month={Jun}, pages={507–511} } @article{hough_haney_bereman_keefer_2000, title={An examination of the coordination chemistry of L2Pt(1,2-dithiolenes) using atmospheric pressure chemical ionization mass spectrometry}, volume={51}, ISSN={["0095-8972"]}, DOI={10.1080/00958970008047077}, abstractNote={Abstract Atmospheric pressure chemical ionization mass spectrometry (APCI–MS) has been utilized in the characterization of two series of platinum dithiolene complexes, (COD)Pt(dt) 1, (COD)–Pt(edt) 2, (COD)Pt(dmid) 3, (COD)Pt(mnt) 4, (COD)Pt(eddo) 5, (COD)Pt(dddt) 6 and (Ph3P)2Pt(dt) 7, (Ph3P)2Pt(edt) 8, (Ph3P)2Pt(dmid) 9, (Ph3P)2Pt(dmit) 10, (Ph3P)2Pt(mnt) 11 (where COD = 1,5–cyclooctadiene, dt = ethane–1,2–dithiolate, edt = ethylene–1,2–dithiolate, dmid = 1,3–dithiole–2–oxo–4,5–dithiolate, dmit = 1,3–dithiole–2–thione–4,5–dithiolate, mnt = maleonitrile–1,2–dithiolate, eddo = 4–(ethylene–1′,2′–dithiolate)–1,3-dithiole–2–one, and dddt = 5,6–dihydro–1,4–dithiin–2,3–dithiolate). The series that contains triphenylphosphine is labile toward the loss of HPPh3 +. In addition, an orthometallated species involving the platinum and triphenylphosphine is identified. A dimer is identified for 2, which is shown to be a product of the experiment and not present in the parent material. In addition, a 1:1 adduct with NH4 + is identified for 4 and 11 where the NH4 + originates from the acid hydrolysis of acetonitrile. Finally, a highly unique ion, Pt+, a bare platinum ion, is observed in all COD complexes indicating that a radical mechanism must accompany the decomposition of the COD complexes during the fragmentation process.}, number={1}, journal={JOURNAL OF COORDINATION CHEMISTRY}, author={Hough, JM and Haney, CA and Bereman, RD and Keefer, CE}, year={2000}, pages={45–54} } @article{gardner_voyksner_haney_2000, title={Analysis of pesticides by LC-electrospray-MS with postcolumn removal of nonvolatile buffers}, volume={72}, ISSN={["0003-2700"]}, DOI={10.1021/ac0003302}, abstractNote={Liquid chromatographic (LC) separations for pesticides and many other compounds make use of nonvolatile buffers in the mobile phase. The coupling of LC with mass spectrometry (MS) does not allow the use of nonvolatile buffers. Substitution with volatile buffers is possible, but changes in chromatographic retention and resolution can result even if pH is held constant. The postcolumn removal of nonvolatile buffers using a commercially available ion suppressor is evaluated for the analysis of carbamate pesticides. The suppressor efficiently removes phosphate anions from an LC mobile phase. Most compounds show an increased signal by factors of 2-7 after postcolumn phosphate removal. The suppressor has little effect on the chromatographic parameters of some compounds, while serious negative effects are noted for others. Some compounds will give poor results due to adsorption or retention by the suppressor. The results indicate that such a device may be useful for the LC-MS analysis of some pesticides using nonvolatile buffers.}, number={19}, journal={ANALYTICAL CHEMISTRY}, author={Gardner, MS and Voyksner, RD and Haney, CA}, year={2000}, month={Oct}, pages={4659–4666} } @article{hough_haney_voyksner_bereman_2000, title={Evaluation of electrospray transport CID for the generation of searchable libraries}, volume={72}, ISSN={["0003-2700"]}, DOI={10.1021/ac991050t}, abstractNote={This paper reports the preliminary investigation of performance-based standard conditions that have been developed for electrospray ionization mass spectrometry. Using performance-based standard criteria, reproducible spectra can be obtained by CID in the electrospray-transport region and searched using a database created using the same performance criteria. To generate library-searchable mass spectra, the instrument was tuned to standard conditions that correspond to low, mid, and high fragmentation energies. The instrument was tuned using ion ratios relative to a given peak in a tune compound for each energy level. The library was evaluated using a set of 22 benzodiazepines. The CID libraries were found to be reproducible, both on the same instrument and on different instruments of the same type. Also, the libraries were found to be independent of flow rate and solvent system. The library was expanded to include 16 sulfonylurea herbicides and tested using spiked water samples. Performance of the library was tested over a concentration range of 2 orders of magnitude using sulfonylurea standards.}, number={10}, journal={ANALYTICAL CHEMISTRY}, author={Hough, JM and Haney, CA and Voyksner, RD and Bereman, RD}, year={2000}, month={May}, pages={2265–2270} } @article{biederman_lee_haney_kaczmarek_buettner_1999, title={Combinatorial peptide on-resin analysis: optimization of static nanoelectrospray ionization technique for sequence determination}, volume={53}, ISSN={["1397-002X"]}, DOI={10.1034/j.1399-3011.1999.00047.x}, abstractNote={The optimizations of static nanoelectrospray parameters to determine peptide or mimetic sequences released from resin were explored. Several different manufacturers of probe tips were utilized and a method was developed for the direct analysis of bead‐bound peptides by nanoelectrospray. The method involved minimum sample handling to assure maximum recovery from individual beads. Parameters that were explored included an inside and outside wash of the probe tip, the distance from the probe housing to the probe tip, source temperature, drying gas flow, individual tips and presence of beads. The same soluble synthetic peptide was used in all comparisons, which had a molecular weight of 717 amu. The discovery of the sequence of a bead‐bound peptide was achieved. The parameters that were found to effect signal were outside wash, presence of bead and distance. There was the need for pneumatic assist to initiate electrospray on some occasions, although this generally resulted in unsatisfactory performance.}, number={3}, journal={JOURNAL OF PEPTIDE RESEARCH}, author={Biederman, KJ and Lee, H and Haney, CA and Kaczmarek, M and Buettner, JA}, year={1999}, month={Mar}, pages={234–243} } @article{srinivasan_haney_lindsey_zhang_chait_1999, title={Investigation of MALDI-TOF mass spectrometry of diverse synthetic metalloporphyrins, phthalocyanines and multiporphyrin arrays}, volume={3}, ISSN={["1088-4246"]}, DOI={10.1002/(SICI)1099-1409(199904)3:4<283::AID-JPP132>3.0.CO;2-F}, abstractNote={ We investigated the utility of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) for analyzing porphyrinic compounds using a variety of different synthetic porphyrins, azaporphyrins, phthalocyanines and multiporphyrin arrays. Comparisons of spectra obtained from these analytes deposited either as neat samples or codeposited with neutral or acidic matrices have been made with the goal of identifying conditions that yield minimal demetalation, transmetalation, adduct formation and fragmentation. It was found that the molecular masses of many porphyrins can be successfully measured from neat sample preparations and do not require a matrix to facilitate desorption and ionization, although the measurement of large multiporphyrin arrays was facilitated by the use of matrices. Demetalation of magnesium porphyrins occurred in the presence of acidic matrices, but not with neutral matrices such as 1,4-benzoquinone. Positive ion spectra were obtained for each compound and negative ion spectra were also collected for the azaporphyrins and phthalocyanines. Examination of selected samples (prepared neat, with 1,4-benzoquinone, 2,3,5,6-tetrachloro-1,4-benzoquinone or α-cyano-4-hydroxycinnamic acid) showed that the dominant process of ionization involved oxidation yielding the radical cation M+· rather than the protonated molecule [M+H]+. MALDI-TOF-MS is shown to be a powerful analytical tool for the characterization of diverse synthetic porphyrinic compounds. }, number={4}, journal={JOURNAL OF PORPHYRINS AND PHTHALOCYANINES}, author={Srinivasan, N and Haney, CA and Lindsey, JS and Zhang, WZ and Chait, BT}, year={1999}, month={Apr}, pages={283–291} } @article{roberts_marquez_haney_1999, title={Liquid catalyst interactions in slurry reactors: methanol synthesis over zinc chromite}, volume={183}, ISSN={["0926-860X"]}, DOI={10.1016/S0926-860X(99)00076-9}, abstractNote={The performance of a `zinc chromite' catalyst was studied in a continuous slurry reactor using three different liquids: decahydronaphthalene, tetrahydronaphthalene, and tetrahydroquinoline. The reactor feed was a mixture of hydrogen and carbon monoxide with a H2/CO ratio of either 0.5 or 2. The reactor was operated over a temperature range of 598–698 K and at a total pressure of about 14 MPa. The characteristics of the slurry liquid had a major influence on both the overall reaction rate and the product distribution. The rate of methanol synthesis was much higher when tetrahydroquinoline was used than with the other two liquids. The product distribution was shifted away from oxygenates and towards hydrocarbons when tetrahydronaphthalene was used. The slurry liquid was analyzed by GC/MS (gas chromatography/mass spectrometry) during and after the reaction. There was no evidence of significant cracking or hydrocracking of any of the liquids. However, tetrahydroquinoline was alkylated during the reaction, and tetrahydronaphthalene was dehydrogenated to some extent. Tetrahydroquinoline, and perhaps tetrahydronaphthalene, may have participated in the catalytic cycle.}, number={2}, journal={APPLIED CATALYSIS A-GENERAL}, author={Roberts, GW and Marquez, MA and Haney, CA}, year={1999}, month={Jul}, pages={395–410} } @article{gorman_smith_hager_parkhurst_sierzputowska-gracz_haney_1999, title={Molecular structure-property relationships for electron-transfer rate attenuation in redox-active core dendrimers}, volume={121}, ISSN={["1520-5126"]}, DOI={10.1021/ja990875h}, abstractNote={Two series of redox-active, iron−sulfur core dendrimers of the general structure (nBu4N)2[Fe4S4(S-Dend)4] (Dend = dendrons of generations 1 through 4) were prepared. Heterogeneous electron-transfer rate constants indicated that the rigid series of dendrimers were more effective at attenuating the rate of electron transfer than were the flexible series of dendrimers. These results were rationalized using computationally derived models which indicated an offset and mobile iron−sulfur core in the flexible series of molecules and a more central and relatively immobile iron−sulfur core in the rigid series of molecules. Further consideration of these data indicated that, while the dendrimers containing rigid ligands had better encapsulated redox cores for a given molecular weight, these molecules had higher electron-transfer rates for a given molecular radius.}, number={43}, journal={JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, author={Gorman, CB and Smith, JC and Hager, MW and Parkhurst, BL and Sierzputowska-Gracz, H and Haney, CA}, year={1999}, month={Nov}, pages={9958–9966} } @article{singleton_ruan_sanford_haney_stikeleather_1999, title={Separation and characterization of peanut phospholipid molecular species using high-performance liquid chromatography and fast atom bombardment mass spectrometry}, volume={76}, ISSN={["0003-021X"]}, DOI={10.1007/s11746-999-0046-y}, abstractNote={Abstract}, number={1}, journal={JOURNAL OF THE AMERICAN OIL CHEMISTS SOCIETY}, author={Singleton, JA and Ruan, M and Sanford, JH and Haney, CA and Stikeleather, LF}, year={1999}, month={Jan}, pages={49–56} } @article{lin_woodruff_lagouche_mckeon_stafford_goodrich_singleton_haney_1998, title={Biosynthesis of triacylglycerols containing ricinoleate in castor microsomes using 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine as the substrate of oleoyl-12-hydroxylase}, volume={33}, number={1}, journal={Lipids}, author={Lin, J. T. and Woodruff, C. L. and Lagouche, O. J. and McKeon, T. A. and Stafford, A. E. and Goodrich, T. M. and Singleton, J. A. and Haney, C. A.}, year={1998}, pages={59–69} } @article{sokolowska-gajda_hinks_haney_freeman_tanaka_1998, title={Field desorption mass spectral analysis of some nonmutagenic benzidine-based pigments}, volume={39}, ISSN={["0143-7208"]}, DOI={10.1016/S0143-7208(97)00116-2}, abstractNote={This paper is concerned with field desorption mass spectral (FDMS) analysis of novel disazomethine, disazoacetoacetanilide (diarylide) and disazopyrazolone pigments containing nonmutagenic benzidine homologs. The FD spectra of the aforementioned types of pigments are characterized by intense parent ion peaks [M+.] and relatively intense [M+]/2 daughter ions, a pattern which serves as a fingerprint for these molecular structures.}, number={3}, journal={DYES AND PIGMENTS}, author={Sokolowska-Gajda, J and Hinks, D and Haney, CA and Freeman, HS and Tanaka, M}, year={1998}, month={Oct}, pages={159–171} } @article{roberts_marquez_mccutchen_haney_shin_1997, title={High-temperature slurry reactors for synthesis gas reactions .1. Liquid thermal stability}, volume={36}, ISSN={["0888-5885"]}, DOI={10.1021/ie970136e}, abstractNote={The use of slurry reactors has been limited to reactions that take place at temperatures below about 573 K because many of the liquids that have been used to suspend the solid catalyst are not stable above this temperature. The thermal stability of a number of organic liquids was evaluated at temperatures between 648 and 698 K and at H2 partial pressures of about 7 MPa. Certain saturated and partially-saturated, fused-ring compounds with no alkyl groups or bridges are quite stable at these conditions. Of the compounds tested, tetrahydronaphthalene, tetrahydroquinoline, and decahydronaphthalene were the most stable. Analysis of the liquids at the end of the thermal stability evaluation supports some speculation concerning possible degradation reactions.}, number={10}, journal={INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH}, author={Roberts, GW and Marquez, MA and McCutchen, MS and Haney, CA and Shin, ID}, year={1997}, month={Oct}, pages={4143–4154} }